2-[4-(1H-indazol-3-ylcarbonyl)piperazin-1-ium-1-yl]-N-(4-methylphenyl)ethanamide

Systemtic Name: 2-[4-(1H-indazol-3-ylcarbonyl)piperazin-1-ium-1-yl]-N-(4-methylphenyl)ethanamide Openeye Name: 2-[4-(1H-indazole-3-carbonyl)piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide CAS Name: 2-[4-[1H-indazol-3-yl(oxo)methyl]-1-piperazin-1-iumyl]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[4-(1H-indazole-3-carbonyl)piperazin-1-ium-1-yl]-N-(4-methylphenyl)acetamide Traditional Name: 2-[4-(1H-indazole-3-carbonyl)piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide Formula: C21H24N5O2+ MolecularWeight: 378.44756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=NNC4=CC=CC=C43

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=NNC4=CC=CC=C43

InChI

InChI=1S/C21H23N5O2/c1-15-6-8-16(9-7-15)22-19(27)14-25-10-12-26(13-11-25)21(28)20-17-4-2-3-5-18(17)23-24-20/h2-9H,10-14H2,1H3,(H,22,27)(H,23,24)/p+1